ethene;4-methylpiperidine

C8H17N — CID 143316942

IUPACethene;4-methylpiperidine
SMILESC=C.CC1CCNCC1
InChIInChI=1S/C6H13N.C2H4/c1-6-2-4-7-5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H2
InChIKeyMVSRHXCGKXRXFA-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds

About ethene;4-methylpiperidine

ethene;4-methylpiperidine (PubChem CID 143316942) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethene;4-methylpiperidine.

Molecular Properties

Compound Nameethene;4-methylpiperidine
PubChem CID143316942
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethene;4-methylpiperidine
SMILESC=C.CC1CCNCC1
InChIInChI=1S/C6H13N.C2H4/c1-6-2-4-7-5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H2
InChIKeyMVSRHXCGKXRXFA-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopentane;4-methylpiperidine
CID 143138909
4-methylpiperidine;nitroxyl
CID 174726440
ethane;4-methylpiperidine;piperidine
CID 143189861
4,5-dimethylazepane
CID 83679426
dimethoxysilane;4-methylpiperidine
CID 175042684
ethane;1-methylpiperazine;4-methylpiperidine
CID 145158402
ethane;1-methylpiperazine;4-methylpiperidine
CID 166533562
1,7-dimethyl-1,4-diazonane
CID 59686503
2,5-dimethylcyclohepta-1,3,5-triene;ethane;4-methylpiperidine
CID 142973103
ethane;ethyl iodite;4-methylpiperidine
CID 143786108
cumene;4-methylpiperidine
CID 158684278
3-methylpyrrolidine;phosphinous acid
CID 142914115

Frequently Asked Questions

What is the IUPAC name of ethene;4-methylpiperidine?
The IUPAC name of ethene;4-methylpiperidine (CID 143316942) is ethene;4-methylpiperidine.
What is the SMILES notation for ethene;4-methylpiperidine?
The canonical SMILES for ethene;4-methylpiperidine is C=C.CC1CCNCC1.
What is the InChIKey of ethene;4-methylpiperidine?
The InChIKey is MVSRHXCGKXRXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H4/c1-6-2-4-7-5-3-6;1-2/h6-7H,2-5H2,1H3;1-2H2.
What are the key properties of ethene;4-methylpiperidine?
ethene;4-methylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-methylpiperidine is sourced from PubChem (CID 143316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).